General Information of the Compound
| Compound ID |
CP0497646
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| Compound Name |
4-Trifluoromethyl-pyrimidine-5-carboxylic acid (3,5-dichloro-phenyl)-amide
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| Structure |
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| Formula |
C12H6Cl2F3N3O
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| Molecular Weight |
336.1
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| Canonical SMILES |
FC(F)(F)c1ncncc1C(=O)Nc1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C12H6Cl2F3N3O/c13-6-1-7(14)3-8(2-6)20-11(21)9-4-18-5-19-10(9)12(15,16)17/h1-5H,(H,20,21)
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| InChIKey |
HXJGBHNFBUWWFW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06058, Cyclic AMP-dependent transcription factor ATF-1
Protein ID: PT01630, Nuclear factor NF-kappa-B p105 subunit